Refs 11 and 12 from section 4.9.2 of the manual have the kind of content
you are seeking, IIRC.
Mark
On Sat, May 11, 2013 at 7:29 PM, Andrew DeYoung <adeyoung at andrew.cmu.edu>wrote:
> Hi,
>> Please forgive me for this slightly off-topic question. Suppose I use the
> particle mesh Ewald algorithm for the computation of electrostatic
> interactions. It is often mentioned in the literature that the PME
> algorithm scales as O(N logN), and that the electrostatic interactions are
> the most computationally expensive part of MD. Is it thus reasonable to
> say
> that MD overall scales as O(N logN)? Or does MD overall scale in some
> other
> way? I have been having difficulty finding a textbook or paper that states
> or estimates the scaling of MD.
>> Thank you so much for your time!
>> Andrew DeYoung
> Carnegie Mellon University
>> --
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